- InChI
- InChI=1S/C9H9Cl2NO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
- InChI Key
- PPDCJGYLZPSGAW-UHFFFAOYSA-N
- Formula
- C9H9Cl2NO
- SMILES
- O=C(CCCl)Nc1cccc(Cl)c1
- Molecular Weight1
- 218.08
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 64.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.907 | Crippen Calculated Property | |
| McVol | 149.940 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | 1861.00 | NIST | |
| Tboil | 615.88 | K | Joback Calculated Property |
| Tc | 843.79 | K | Joback Calculated Property |
| Tfus | 392.56 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.96; 380.25] | J/mol×K | [615.88; 843.79] | 
|
| Cp,gas | 325.96 | J/mol×K | 615.88 | Joback Calculated Property |
| Cp,gas | 336.85 | J/mol×K | 653.86 | Joback Calculated Property |
| Cp,gas | 346.95 | J/mol×K | 691.85 | Joback Calculated Property |
| Cp,gas | 356.31 | J/mol×K | 729.83 | Joback Calculated Property |
| Cp,gas | 364.95 | J/mol×K | 767.82 | Joback Calculated Property |
| Cp,gas | 372.92 | J/mol×K | 805.80 | Joback Calculated Property |
| Cp,gas | 380.25 | J/mol×K | 843.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-chlorophenyl)-3-chloro-.
Sources
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